N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide

C19H15ClN4O3 — CID 51003234

IUPACN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-8-9-21-11-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyGZPRAHBIWSNPMM-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide

N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide (PubChem CID 51003234) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide
PubChem CID51003234
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-8-9-21-11-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyGZPRAHBIWSNPMM-UHFFFAOYSA-N
XLogP3.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide (CID 51003234) is N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide is COc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide?
The InChIKey is GZPRAHBIWSNPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-8-9-21-11-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide?
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 51003234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).